input word = C00063974

Metabolite InformationStructural formula
Name Daturafoliside G
Formula C35H52O11
Mw 648.3509625
CAS RN 1621625-97-5
C_ID C00063974
InChIKey BKDRJZPZHBFDLI-KRPUMWIOSA-N
InChICode InChI=1S/C35H52O11/c1-16-10-25(45-32(42)20(16)15-44-33-31(41)30(40)29(39)26(14-36)46-33)17(2)21-6-7-22-28-23(8-9-34(21,22)3)35(4)18(12-24(28)37)11-19(43-5)13-27(35)38/h12,17,19,21-26,28-31,33,36-37,39-41H,6-11,13-15H2,1-5H3/t17-,19+,21+,22-,23-,24+,25+,26+,28-,29+,30-,31+,33+,34+,35-/m0/s1
SMILES COC1CC(=O)C2(C)C(=CC(O)C3C2CCC2(C)C(C(C)C4CC(C)=C(COC5OC(CO)C(O)C(O)C5O)C(=O)O4)CCC32)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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